Re: [Rdkit-discuss] Error depicting a smiles string

Greg Landrum schrieb: Dear Thomas, I checked in the fix for this problem this morning. Great. Will you make a binary release as well, or should I try to compile it myself? -- Thanks, Thomas --

[Rdkit-discuss] Documentation

Dear Greg, I successfully installed RDKit_Q12010_1. I have been pleased to see that the 2D coordinate generation algorithm is now able to deal with all structures in my test structure file. I was able to generate the C++ documentation using doxygen. How do you generate the python documentation?

Re: [Rdkit-discuss] Documentation

Hi Jean-Marc, On Mon, May 3, 2010 at 1:49 PM, JEAN MARC NUZILLARD jm.nuzill...@univ-reims.fr wrote: Dear Greg, I successfully installed RDKit_Q12010_1. I have been pleased to see that the 2D coordinate generation algorithm is now able to deal with all structures in my test structure file.

Re: [Rdkit-discuss] Error depicting a smiles string

Greg, I found the files of interest and ran a few tests. The files resulting from the tests are in the attached archive and here are the details. The structures in question came from the non-aggregators set of Shoichet which were available on his web page. My original intent was to convert the